Estrone sodium sulfateProduct ingredient for Estrone sulfate

Name
Estrone sodium sulfate
Drug Entry
Estrone sulfate

Estrone sulfate (as estropipate) is a form of estrogen. It has several uses such as: alleviate symptoms of menopause as hormone replacement therapy, treatment some types of infertility, treatment of some conditions leading to underdevelopment of female sexual characteristics, treatment of vaginal atrophy, treatment of some types of breast cancer (particularly in men and postmenopausal women), treatment of prostate cancer and prevention of osteoporosis.

Accession Number
DBSALT002492  (DBSALT002565)
Structure
Synonyms
17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate / Estrone sodium sulphate / Estrone sulfate sodium / Estrone-3-sulfate sodium salt / Oestrone-3-sulphate sodium salt / Sodium estrone 3-sulfate / Sodium estrone sulfate
External IDs
NSC-18313
UNII
6K6FDA543A
CAS Number
438-67-5
Weight
Average: 372.411
Monoisotopic: 372.100739147
Chemical Formula
C18H21NaO5S
InChI Key
VUCAHVBMSFIGAI-ZFINNJDLSA-M
InChI
InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
IUPAC Name
sodium (3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl sulfate
SMILES
[Na+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS([O-])(=O)=O)C=C3
KEGG Drug
D00312
ChemSpider
9532
ChEBI
8389
ChEMBL
CHEMBL2106240
PharmGKB
PA164754789
Predicted Properties
PropertyValueSource
Water Solubility0.0045 mg/mLALOGPS
logP2.75ALOGPS
logP3.83Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)-1.7Chemaxon
pKa (Strongest Basic)-7.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area83.5 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity87.95 m3·mol-1Chemaxon
Polarizability36.34 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon